Daidzein-d6

Base Information

Chemical Name:Daidzein-d6
CAS No.:291759-05-2
Molecular Formula:C15H4D6O4
Molecular Weight:260.194
Hs Code.:
DSSTox Substance ID:DTXSID20442180
Nikkaji Number:J2.506.742H
Wikidata:Q82259313
Mol file:291759-05-2.mol

Synonyms:Daidzein-d6;291759-05-2;6,8-dideuterio-7-hydroxy-3-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)chromen-4-one;DTXSID20442180;AKOS030242246;J-017421;7-hydroxy-3-[4-hydroxy(2,3,5,6-?H?)phenyl](6,8-?H?)-4H-chromen-4-one

Suppliers and Price of Daidzein-d6

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
Daidzein-d6
1mg
$ 425.00

TRC
Daidzein-d6
10mg
$ 1210.00

American Custom Chemicals Corporation
DAIDZEIN-D6 95.00%
10MG
$ 1732.50

American Custom Chemicals Corporation
DAIDZEIN-D6 95.00%
1MG
$ 721.88

aablocks
4H-1-Benzopyran-4-one-6,8-d2,7-hydroxy-3-(4-hydroxyphenyl-2,3,5,6-d4)-
1mg
$ 413.00

Total 3 raw suppliers

Chemical Property of Daidzein-d6

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Melting Point:315-323°C (dec)
Boiling Point:512.837°C at 760 mmHg
Flash Point:201.215°C
PSA：70.67000
Density:1.478g/cm³
LogP:2.87120
Storage Temp.:-20°C Freezer
Solubility.:DMSO (Slightly), Methanol (Slightly)
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:260.09556927
Heavy Atom Count:19
Complexity:382

Purity/Quality:

98%; ≥97% atom D ^*data from raw suppliers

Daidzein-d6 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O
Isomeric SMILES:[2H]C1=CC2=C(C(=C1O)[2H])OC=C(C2=O)C3=C(C(=C(C(=C3[2H])[2H])O)[2H])[2H]
Uses The labelled aglucon of Daidzin The labelled aglucon of Daidzin.

Technology Process of Daidzein-d6

There total 3 articles about Daidzein-d6 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 60.0%

: 486-66-8
daidzein

: 291759-05-2,220930-96-1
7-hydroxy-3-(4-hydroxyphenyl-2,3,5,6-D₄)-4H-1-benzopyran-4-one-6,8-D₂

Guidance literature:: daidzein; With [D]-sodium hydroxide; platinum on activated charcoal; water-d2; at 130 ℃; for 8h; Inert atmosphere;

With formic acid; at 130 ℃; for 1h; Inert atmosphere;

Reference yield:

: 220930-96-1
C₁₅H₂⁽²⁾H₈O₄

: 291759-05-2,220930-96-1
7-hydroxy-3-(4-hydroxyphenyl-2,3,5,6-D₄)-4H-1-benzopyran-4-one-6,8-D₂

Guidance literature:: With water;
DOI:10.1021/jo070231p

Reference yield:

: 944719-69-1
C₁₅H₈⁽²⁾H₂O₄

: 291759-05-2,220930-96-1
7-hydroxy-3-(4-hydroxyphenyl-2,3,5,6-D₄)-4H-1-benzopyran-4-one-6,8-D₂

Guidance literature:: Multi-step reaction with 2 steps

1: 1-butyl-3-methylimidazolium chloride; DCl; D₂O / 0.33 h / 170 °C / 6750.68 Torr / microwave irradiation

2: H₂O

With diclazuril; water; water-d2; 1-butyl-3-methylimidazolium chloride;
DOI:10.1021/jo070231p